1.0 2020-03-26 09:02:41 UTC 2020-04-22 20:00:47 UTC BMDB0106325 TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) 1-(9Z,12Z-Octadecadienoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol 1-Linoleoyl-2-meadoyl-3-g-linolenoyl-glycerol TAG(18:2/20:3/18:3) TAG(56:8) TG(18:2/20:3/18:3) TG(56:8) Tracylglycerol(18:2/20:3/18:3) Tracylglycerol(56:8) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) C59H98O6 903.427 902.736340876 (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,30-32,35-36,39,41,44,56H,4-16,19,22-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1 JQRGRAACHZXKJG-MIVBQNIGSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.49 ALOGPS logs -8.27 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 903.427 ChemAxon mono_mass 902.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-28,30-32,35-36,39,41,44,56H,4-16,19,22-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1 ChemAxon inchikey JQRGRAACHZXKJG-MIVBQNIGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 116.44 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 246113 Specdb::MsMs 592639 Specdb::MsMs 592640 Specdb::MsMs 592641 Specdb::MsMs 933634 Specdb::MsMs 933635 Specdb::MsMs 933636 Specdb::MsMs 2334949 Specdb::MsMs 2334950 Specdb::MsMs 2334951 Specdb::MsMs 2379135 Specdb::MsMs 2379136 Specdb::MsMs 2379137 Specdb::MsMs 2621465 Specdb::MsMs 2621466 Specdb::MsMs 2621467 Specdb::MsMs 2628200 Specdb::MsMs 2628201 Specdb::MsMs 2628202 Specdb::MsMs 2907486 Specdb::MsMs 2907487 Specdb::MsMs 2907488 131763242